SCHEMBL9615028

SCHEMBL9615028

O=C(CCCCc1c(C(=O)c2cccc([N+](=O)[O-])c2)[nH]c2ccccc12)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.52
MEN1 O00255 5/20 0.52
ALDH1A1 P00352 5/20 0.48
AGTR1 P30556 2/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 2/20 0.47
RAB9A P51151 2/20 0.46
HPGD P15428 2/20 0.41
MAPT P10636 3/20 0.41
PDE1C Q14123 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MCL1 Q07820 1/20 0.40
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
GAA P10253 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9615034 0.97 KMT2A (0.53) KMT2AMEN1ALDH1A1AGTR1HTT
SCHEMBL9615038 0.94 KMT2A (0.57) KMT2AMEN1ALDH1A1AGTR1HTT
SCHEMBL9615033 0.88 KMT2A (0.46) KMT2AMEN1ALDH1A1AGTR1HTT
SCHEMBL9371294 0.79 MCL1 (0.46) ALDH1A1LMNAMCL1
SCHEMBL9615051 0.78 KMT2A (0.51) KMT2AMEN1ALDH1A1AGTR1HTT
SCHEMBL9154069 0.74 KMT2A (0.48) KMT2AMEN1ALDH1A1AGTR1HTT
SCHEMBL9368883 0.73 MCL1 (0.48) MCL1
SCHEMBL9152137 0.73 KMT2A (0.48) KMT2AMEN1ALDH1A1AGTR1HTT
SCHEMBL22694071 0.72 ALDH1A1 (0.66) KMT2AMEN1ALDH1A1AGTR1HTT
Dinitrophenylene SCHEMBL27717249 0.71 RAB9A (0.53) KMT2AMEN1ALDH1A1AGTR1HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0516849-A1 INDOLE DERIVATIVES. FUJISAWA PHARMACEUTICAL CO (JP) 1992-12-09 EP disclosed